SCHEMBL29294148

SCHEMBL29294148

CC1CCCC[C@H]1c1ccnc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.41
NOS2 P35228 4/20 0.41
NOS1 P29475 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C2 P08235 1/20 0.37
DYRK1A Q13627 2/20 0.36
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CHRNA7 P36544 1/20 0.33
GABRP O00591 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18192105 0.80 AR (0.40) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL15465077 0.80 AR (0.40) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL15465075 0.80 AR (0.40) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4539765 0.78 NR3C2 (0.60) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4539761 0.78 NR3C2 (0.60) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4539768 0.78 NR3C2 (0.60) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22272915 0.77 BACE1 (0.49) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL15465530 0.77 AR (0.38) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL18192120 0.77 AR (0.38) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL15465527 0.77 AR (0.38) NOS3NOS2NOS1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143026-B1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS AG (CH) 2024-07-10 EP disclosed